(2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid

C4H7FN2O3 — CID 18635631

IUPAC(2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid
SMILESNC(=O)C(F)[C@H](N)C(=O)O
InChIInChI=1S/C4H7FN2O3/c5-1(3(7)8)2(6)4(9)10/h1-2H,6H2,(H2,7,8)(H,9,10)/t1?,2-/m0/s1
InChIKeyWCDMRIWUCBOWJP-ASHVXDOASA-N
MW150.11 g/mol
LogP-1.78
Rot. Bonds3

About (2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid

(2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid (PubChem CID 18635631) has the molecular formula C4H7FN2O3 and a molecular weight of 150.11 g/mol. Its IUPAC name is (2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid
PubChem CID18635631
Molecular FormulaC4H7FN2O3
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name(2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid
SMILESNC(=O)C(F)[C@H](N)C(=O)O
InChIInChI=1S/C4H7FN2O3/c5-1(3(7)8)2(6)4(9)10/h1-2H,6H2,(H2,7,8)(H,9,10)/t1?,2-/m0/s1
InChIKeyWCDMRIWUCBOWJP-ASHVXDOASA-N
XLogP-1.78
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid?
The IUPAC name of (2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid (CID 18635631) is (2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid?
The canonical SMILES for (2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid is NC(=O)C(F)[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid?
The InChIKey is WCDMRIWUCBOWJP-ASHVXDOASA-N. The full InChI is InChI=1S/C4H7FN2O3/c5-1(3(7)8)2(6)4(9)10/h1-2H,6H2,(H2,7,8)(H,9,10)/t1?,2-/m0/s1.
What are the key properties of (2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid?
(2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid has a molecular weight of 150.11 g/mol, XLogP of -1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diamino-3-fluoro-4-oxobutanoic acid is sourced from PubChem (CID 18635631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).